4-bromanyl-2-methyl-N-(2-sulfanylethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-2-methyl-N-(2-sulfanylethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-2-methyl-N-(2-sulfanylethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-N-(2-mercaptoethyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-2-methyl-N-(2-sulfanylethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-N-(2-mercaptoethyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C8H9BrF3N3OS MolecularWeight: 332.14077

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NCCS

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NCCS

InChI

InChI=1S/C8H9BrF3N3OS/c1-15-5(7(16)13-2-3-17)4(9)6(14-15)8(10,11)12/h17H,2-3H2,1H3,(H,13,16)